SCHEMBL9710478

SCHEMBL9710478

CCOC(=O)C1CCCCN1C(=O)C(NC(=O)[C@@H](N)Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.42
▸ DPP8 Q6V1X1 6/20 0.42
▸ DPP9 Q86TI2 6/20 0.42
▸ DPP7 Q9UHL4 6/20 0.42
▸ FAP Q12884 5/20 0.42
▸ F2 P00734 2/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ PLAU P00749 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ CAPN1 P07384 1/20 0.37
▸ MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9710939 0.87 PLAU (0.51) F2PLAUPLATKMT2A
SCHEMBL8955774 0.83 DPP7 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL9710701 0.80 F10 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL9710711 0.78 KMT2A (0.40) F2TACR1PLAUPLATKMT2A
SCHEMBL9710456 0.78 ACE (0.41) F2CAPN1
SCHEMBL7023692 0.77 F10 (0.56) F2PLAU
SCHEMBL8955806 0.74 F10 (0.54) F2PLAU
Iodide SCHEMBL8954901 0.74 F10 (0.54) F2PLAU
SCHEMBL9710637 0.74 F10 (0.62) F2PLAU
SCHEMBL9710484 0.72 F2 (0.54) F2PLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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